Geometry & MOs

Info

ID:	393084
PubChem CID:	135019310
Reduced:	SN2O2H26C27 (1)
Stoich.:	AB2C2D26E27 (1)
Weight, g/mol:	334.14463
ΔH_f, kcal/mol:	31.3
Dipole, Da:	3.38
IP(EA), eV:	-8.44(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[amino-(4-methoxyphenyl)methyl]-hydroxy-methylidene-lambda5-phosphanyl]-(4-methoxyphenyl)methanamine

Drug info:

PubChemData

Smile

COC1=C(C=C2C3/C(=C/C4=CC=CC=C4)/SC(=NCC5=CC=CC=C5)N3CCC2=C1)OC

DOS

IR

Vibrations